Information card for entry 4085139

Structure parameters

• Formula: C93 H80 Au B F24 N4
• Calculated formula: C93 H80 Au B F24 N4
• SMILES: [Au](=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C1c2ccccc2C=Cc2ccccc12)=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C1c2ccccc2C=Cc2ccccc12.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCCCC
• Title of publication: Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)
• Authors of publication: Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 263
• a: 11.9317 ± 0.0006 Å
• b: 19.8245 ± 0.0009 Å
• c: 18.3093 ± 0.001 Å
• α: 90°
• β: 105.436 ± 0.0014°
• γ: 90°
• Cell volume: 4174.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No